450162

Source:http://linkedlifedata.com/resource/chembl/compound/450162

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C10H18N2O2/c1-2-3-4-6-10(9(11)13)7-5-8-12(10)14/h8H,2-7H2,1H3,(H2,11,13)
chemicalCompound:standardIn...	MTSTUYRMNJGPER-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCC1(CCC=[N+]1[O-])C(=O)N
chemicalCompound:molecularF...	C10H18N2O2
chemicalCompound:moleculeId	450162
chemicalCompound:mwFreebase	198.262
chemicalCompound:alogp	0.597
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	71.84
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	-0.808
chemicalCompound:acdLogD	-0.808
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	198.262
chemicalCompound:acdMostBpk...	1.875
chemicalCompound:chemblId	CHEMBL487825
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:550162
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:2376518, activity:2376523, activity:2376528, activity:2376533, activity:2376537, activity:2376538, activity:2376539, activity:2376542